(1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol

C22H25N3O2 — CID 155509117

About (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol

(1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol (PubChem CID 155509117) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol.

Molecular Properties

• Compound Name: (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol
• PubChem CID: 155509117
• Molecular Formula: C22H25N3O2
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.19
• IUPAC Name: (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol
• SMILES: Cc1ccc2nc(CN3C[C@H](O)[C@@]4(C3)[C@H](CO)[C@H]4c3ccccc3)cn2c1
• InChI: InChI=1S/C22H25N3O2/c1-15-7-8-20-23-17(11-25(20)9-15)10-24-12-19(27)22(14-24)18(13-26)21(22)16-5-3-2-4-6-16/h2-9,11,18-19,21,26-27H,10,12-14H2,1H3/t18-,19+,21-,22-/m1/s1
• InChIKey: ZVGFGTCOVQCXQT-NPDDRXJXSA-N
• XLogP: 2.21
• TPSA: 61.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol?

The IUPAC name of (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol (CID 155509117) is (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol.

What is the SMILES notation for (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol?

The canonical SMILES for (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol is Cc1ccc2nc(CN3C[C@H](O)[C@@]4(C3)[C@H](CO)[C@H]4c3ccccc3)cn2c1.

What is the InChIKey of (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol?

The InChIKey is ZVGFGTCOVQCXQT-NPDDRXJXSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-7-8-20-23-17(11-25(20)9-15)10-24-12-19(27)22(14-24)18(13-26)21(22)16-5-3-2-4-6-16/h2-9,11,18-19,21,26-27H,10,12-14H2,1H3/t18-,19+,21-,22-/m1/s1.

What are the key properties of (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol?

(1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol has a molecular weight of 363.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol is sourced from PubChem (CID 155509117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).